Data quality metrics extracted from mmCIF - (by aB_cif2table1 from BUSTER, Global Phasing Ltd.)

Data quality metrics extracted from 3oeo.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.

Experimental information for 3OEO at RCSB, PDBe, PDBj

Experiment
Method _exptl.method	X-RAY DIFFRACTION
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	MAD
Source type _diffrn_source.source	SYNCHROTRON
Source details _diffrn_source.type	ALS BEAMLINE 8.3.1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ALS
Beamline _diffrn_source.pdbx_synchrotron_beamline	8.3.1
Temperature [K] _diffrn.ambient_temp	100.0
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2009-08-26
Detector _diffrn_detector.type	ADSC QUANTUM 315r
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.11587, 0.97944, 0.97976, 0.98771, 0.97220
Software
Data collection _software.classification	ADSC (Quantum)
Data reduction _software.classification	HKL-2000
Data scaling _software.classification	SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing _software.classification	SOLVE
Refinement _software.classification	REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 32
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	69.195 69.195 126.347 90.0 90.0 120.0
Wavelength _diffrn_radiation_wavelength.wavelength	1.11587 0.97944 0.97976 0.98771 0.97220 Å

Data quality metrics	Overall	InnerShell	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	20.000	20.000	2.800
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.700	5.770	2.700
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.054	0.030	0.385
Rmeas	-	-	-
Rpim	-	-	-
Total number of observations	-	-	-
Total number unique _reflns.number_obs	18354	-	-
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	15.10	-	-
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	98.3	99.6	95.3
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	4.1	5.4	2.8
CC(1/2)	-	-	-

Refinement
PDB entry ID _entry.id	3OEO
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2010-08-13
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	20.0 - 2.700 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2523 / 0.2997
Structure solution method _refine.pdbx_method_to_determine_struct	MAD